HMDB0252603 RDKit 3D Galunisertib 47 51 0 0 0 0 0 0 0 0999 V2000 2.8459 -3.9630 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 -2.9518 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3403 -3.2998 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -2.3891 2.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7236 -1.0899 1.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.7284 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 0.6568 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3089 1.7005 0.5035 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8307 2.8352 -0.0069 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 2.5234 -0.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5716 1.1599 -0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4339 0.3488 -1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 0.1241 -2.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3831 -0.6384 -3.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3679 -1.1955 -2.7306 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4005 -0.9909 -1.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4464 -1.5828 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4984 -1.3809 0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5533 -0.6240 1.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6261 -0.4213 2.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7028 -0.9969 3.4865 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7565 0.2548 3.3964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.0374 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -0.2363 -0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2224 3.7743 -1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 4.8195 -0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0615 4.2611 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1873 -1.6649 -0.4698 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 -4.9506 -0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8637 -3.6904 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1784 -3.9055 -2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5424 -4.3134 1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 -2.6482 3.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -0.3514 2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 0.5771 -3.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 -0.7518 -4.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1729 -2.1721 -1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -1.8412 1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2353 -0.3730 4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0036 -1.9902 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 0.5606 1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6486 4.0101 -2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 3.7785 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 4.8007 0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7505 5.8146 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4151 4.6112 0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 4.5679 -0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 19 23 1 0 23 24 2 0 10 25 1 0 25 26 1 0 26 27 1 0 6 28 2 0 28 2 1 0 11 7 1 0 24 12 1 0 27 9 1 0 24 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 13 35 1 0 14 36 1 0 17 37 1 0 18 38 1 0 21 39 1 0 21 40 1 0 23 41 1 0 25 42 1 0 25 43 1 0 26 44 1 0 26 45 1 0 27 46 1 0 27 47 1 0 M END